![Cholesterol 3-o-[[2-acetoxy]ethyl]-](/api/spectrum/FIDUL9euBpn/structure.png?h=300&w=458 "Cholesterol 3-o-[[2-acetoxy]ethyl]-")
| SpectraBase Compound ID | GBO3WlzsWLj |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-20-25(34-19-18-33-23(4)32)14-16-30(24,5)29(26)15-17-31(27,28)6/h10,21-22,25-29H,7-9,11-20H2,1-6H3/t22-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | XCXNALSJKINLHL-SBBRIPHWSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIDUL9euBpn |
|---|---|
| Name | Cholesterol 3-o-[[2-acetoxy]ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.391645531 u |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-21(2)8-7-9-22(3)27-12-13-28-26-11-10-24-20-25(34-19-18-33-23(4)32)14-16-30(24,5)29(26)15-17-31(27,28)6/h10,21-22,25-29H,7-9,11-20H2,1-6H3/t22-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | XCXNALSJKINLHL-SBBRIPHWSA-N |
| Molecular Weight | 472.754 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C)(OCCOC(=O)C)[H] |